Information card for entry 7214054

Structure parameters

• Formula: C25 H30 N6 O14 Zn2
• Calculated formula: C25 H30 N6 O14 Zn2
• Title of publication: Temperature and pH driven self-assembly of Zn(ii) coordination polymers: crystal structures, supramolecular isomerism, and photoluminescence
• Authors of publication: Han, Min-Le; Chang, Xin-Hong; Feng, Xun; Ma, Lu-Fang; Wang, Li-Ya
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 9
• Pages of publication: 1687
• a: 17.257 ± 0.004 Å
• b: 10.829 ± 0.003 Å
• c: 17.134 ± 0.004 Å
• α: 90°
• β: 101.765 ± 0.003°
• γ: 90°
• Cell volume: 3134.7 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No